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Remove unused MdrunComparisonFixture
2018-12-13
Rol
a
nd Schulz
Remove unused MdrunComp
a
ri
s
o
n
Fix
t
u
re
commit
|
commitdiff
|
tree
2018-11-29
P
a
ul
Ba
u
er
Fix energy history re
a
d
i
ng
commit
|
commitdiff
|
tree
2018-11-12
Paul Bauer
Update to pr
e
par
e
for 2018
.
5 point release
commit
|
commitdiff
|
tree
2018-11-12
Paul Bauer
Version 2018
.
4
commit
|
commitdiff
|
tree
2018-11-09
M
a
rk Abraha
m
Disabled FPE checking for
n
on-release builds
commit
|
commitdiff
|
tree
2018-10-18
P
a
u
l
Bauer
Fi
x
segmentatio
n
fau
l
t in
gm
x
helix
commit
|
commitdiff
|
tree
2018-09-27
Pa
u
l
B
a
u
e
r
Add
mindist ou
t
put
file c
h
eck
commit
|
commitdiff
|
tree
2018-09-19
Mark Abraham
Fix
bug w
i
th state natoms in membed
commit
|
commitdiff
|
tree
2018-09-03
Kev
i
n
Boyd
Co
r
r
e
ct
i
nfo in Berendsen p-cou
p
ling
mdp opti
o
n
commit
|
commitdiff
|
tree
2018-08-23
Paul Bauer
U
pdate to prepare for
2018
.
4 point release
commit
|
commitdiff
|
tree
2018-08-23
Pa
u
l Bau
e
r
Vers
i
on 2018
.
3
commit
|
commitdiff
|
tree
2018-08-22
Mark Abraham
P
er
m
i
t
PME on GPUs o
n
ly fo
r
d
ynami
c
al
i
n
t
egrat
o
rs
commit
|
commitdiff
|
tree
2018-08-21
Berk Hess
Ensure domains are large en
o
ugh for atom mot
i
on
commit
|
commitdiff
|
tree
2018-08-01
Paul
B
auer
Fix -sk
i
p op
t
ion f
o
r gmx rms
commit
|
commitdiff
|
tree
2018-06-08
Paul Bau
e
r
Fix
gm
x
sol
v
ate
w
ith m
u
ltiple
s
olvent mo
l
ecule typ
e
s
commit
|
commitdiff
|
tree
2018-05-30
Paul Bauer
Disall
o
w u
s
e o
f
empty
box informati
o
n i
n
s
o
lvent files
commit
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commitdiff
|
tree
2018-04-18
Pau
l
Bau
e
r
Remo
v
e
obs
o
le
t
e vari
a
ble prec gro file
out
p
ut
commit
|
commitdiff
|
tree
2017-12-11
Paul
B
auer
Fewer message
s
w
he
n
-cpi file is n
o
t p
r
esent
commit
|
commitdiff
|
tree
2017-12-08
Pau
l
Bauer
Add information
regardin
g
xlc compiler
commit
|
commitdiff
|
tree